Keywords: تعیین ساختار; Low-dose electron microscopy; Single-particle reconstruction; Charging; CryoEM; Structure determination;
مقالات ISI تعیین ساختار (ترجمه نشده)
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Keywords: تعیین ساختار; X-ray analysis; Metal-organic framework; Crystalline sponge method; Structure determination; Absolute configuration;
Keywords: تعیین ساختار; Leonurus japonicus; Structure determination; Labdanes; Norlabdanes; α-Glucosidase inhibition;
Sensitivity enhancement by chromatographic peak concentration with ultra-high performance liquid chromatography-nuclear magnetic resonance spectroscopy for minor impurity analysis
Keywords: تعیین ساختار; Nuclear magnetic resonance; 1H NMR; Ultra-high performance liquid chromatography; Hyphenated technique; Structure determination; Sensitivity enhancement;
Keywords: تعیین ساختار; Nuclear magnetic resonance (NMR) spectroscopy; Solution NMR; Automation; Protein; Structure determination; Validation;
Keywords: تعیین ساختار; Cycloalkyl-N-acylhydrazone; Structure determination; X-ray powder diffraction; In silico characterization; Crystal morphology prediction;
Keywords: تعیین ساختار; Structure determination; Single crystal X-ray diffraction; Medicinal drug; Crystalline sponge method;
Keywords: تعیین ساختار; Flavonoid; Xanthine oxidase inhibition; Cysteine; Oxidative coupling; Structure determination;
Keywords: تعیین ساختار; Electron crystallography; Structure determination; Kaolinite
Keywords: تعیین ساختار; Electron diffraction; Structure determination; Zeolite; MOF
Keywords: تعیین ساختار; Rotational spectroscopy; Conformational analysis; Isotopic substitution; Structure determination; Kraitchman’s equations
Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D
Keywords: تعیین ساختار; Oxamic acid; Structure determination; TALP; GSAS-II; DFT-D calculations; SHG measurements;
The structure of alanine anionic-zwitterionic dimers on Pd(111); formation of salt bridges
Keywords: تعیین ساختار; Alanine; Pd(111); Zwitterion; Anion; Low-energy electron diffraction; Structure determination; Salt bridge;
Ligusaginoids A-D, four eremophilane-type sesquiterpenoid dimers and trimers from Ligularia sagitta
Keywords: تعیین ساختار; Ligularia sagitta; Eremophilane; Sesquiterpenoid; Structure determination; Antibacterial activities;
Syntheses of PDE3A inhibitor ORG9935 and determination of the absolute stereochemistries of its enantiomers by X-ray crystallography
Keywords: تعیین ساختار; Synthesis; PDE3A inhibitor; ORG9935; Female contraception; Enantiomer separation; Structure determination;
Isolation and structure determination of lysiformine from bacteria associated with marine sponge Halichondria okadai
Keywords: تعیین ساختار; Halichondria okadai; Lysinibacillus fusiformis; Isolation; Structure determination;
The effect of internal rotation in p-methyl anisole studied by microwave spectroscopy
Keywords: تعیین ساختار; Structure determination; Phenyl ring; Rotational spectroscopy; Microwave spectroscopy; Large amplitude motion; Internal rotation;
Ewald sphere correction using a single side-band image processing algorithm
Keywords: تعیین ساختار; Ewald sphere; Single-particle reconstruction; CTF; Depth of field; cryoEM; Structure determination;
Practical aspects of high-pressure NMR spectroscopy and its applications in protein biophysics and structural biology
Keywords: تعیین ساختار; High-pressure; Solution NMR; Structure determination; Dynamics; Thermodynamics;
Anti-diabetic xanthones from the bark of Garcinia xanthochymus
Keywords: تعیین ساختار; Garcinia xanthochymus; Structure determination; Xanthones; Anti-diabetic activity; α-Glucosidase; PTP1B inhibition;
A hetero-micro-seeding strategy for readily crystallizing closely related protein variants
Keywords: تعیین ساختار; Crystallization; Hetero-micro-seeding; Protein engineering; Structure determination; Mutational analysis; BPTI-[5,55]; Single-disulfide-bonded Bovine Pancreatic Trypsin Inhibitor (BPTI) variant containing only the [5-55] disulfide bond; RMSDs; Root Mean
Synthesis, structure determination and electrical properties of β-K0.399V2.623W0.377O7.5 with mixed occupation of vanadium and tungsten elements
Keywords: تعیین ساختار; Crystal growth; Structure determination; Vanado-tungsto oxide; Bannermanite; Semiconductor;
New structural insights into the cell-wall polysaccharide of the diatom Phaeodactylum tricornutum
Keywords: تعیین ساختار; GC; gas chromatography; COSY; correlation spectroscopy; TOCSY; total correlation spectroscopy; HMBC; heteronuclear multiple-bond correlation; HSQC; heteronuclear single-quantum correlation; Microalgae; Polysaccharide; Phaeodactylum tricornutum; Structure
Structural characterization and cytotoxicity studies of different forms of a combretastatin A4 analogue
Keywords: تعیین ساختار; Structure determination; X-ray powder diffraction; Cytotoxicity studies; Combretastatin A4 analogue;
Pulsed triple electron resonance (TRIER) for dipolar correlation spectroscopy
Keywords: تعیین ساختار; New method; Electron paramagnetic resonance (EPR); Spin dynamics; Adiabatic passage; NMR; Structure determination; Multi spin systems; Macromolecules; Two-dimensional data; Correlation experiment; Double electron-electron resonance (DEER); PELDOR;
Syntheses, characterization and antifungal activity of novel dimethylbis(N-R-sulfonyldithiocarbimato)stannate(IV) complexes
Keywords: تعیین ساختار; Dithiocarbimates; Tin(IV) organometallic complexes; Structure determination; Antifungal activity;
Synthesis and structure determination of SCR7, a DNA ligase inhibitor
Keywords: تعیین ساختار; GSRTWXVBHGOUBU-UHFFFAOYSA-N; ZKOLPAYPUZVKAK-UHFFFAOYSA-N; ANOSXLFFYKJFFC-UHFFFAOYSA-N; HVKKFLBARSJALR-UHFFFAOYSA-N; Pteridines; Dihydropteridines; DNA ligase inhibitor; Structure determination; NMR; Pericyclic reaction;
Crystal structure of Ba9La2W4O24 and Sr9Gd2W4O24: A new B-site vacancy ordered 4×4×4 cubic perovskite
Keywords: تعیین ساختار; Perovskite; Structure determination; X-ray diffraction
Single crystal structure determination and refinement of AgZrCu4 and Ag-containing Cu10Zr7 by precession electron diffraction and tomography techniques
Keywords: تعیین ساختار; Electron crystallography; AgCu4Zr; Ag-containing Cu10Zr7; Structure determination; Diffraction tomography; Precession electron diffraction
Structure determination, synthesis, and biological evaluation of a metabolite of the selective α1D adrenoceptor antagonist TAK-259
Keywords: تعیین ساختار; Metabolite; Isolation; Structure determination; Synthesis; Selective α1D adrenoceptor antagonist; 2-Amino-4-oxo-1,4-dihydropyridine-3-carboxamide;
Phenolics from strawberry cv. Falandi and their antioxidant and α-glucosidase inhibitory activities
Keywords: تعیین ساختار; Strawberry; Phenolic compounds; Structure determination; Antioxidant activity; α-Glucosidase inhibitory activity; Trichocarpin (PubChem CID: 442989); (+)-Isolariciresinol 9â²-glucoside (PubChem CID: 180275); Aviculin (PubChem CID: 10391477); Cedrusin (P
Five new steroidal glycosides from the roots of Cynanchum stauntonii
Keywords: تعیین ساختار; Cynanchum stauntonii; Asclepiadaceae; Structure determination; Steroidal glycosides; Stauntosides D1; D2; D3; I1; I2;
Inverse simulated annealing: Improvements and application to amorphous InSb
Keywords: تعیین ساختار; Inverse design; Simulated annealing; Disordered materials; Structure determination;
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffraction images
Keywords: تعیین ساختار; Single molecule; X-ray free electron laser diffraction; Structure determination; Bayesian analysis; Monte Carlo;
Kahalalide F analogues from the mucous secretion of Indian sacoglossan mollusc Elysia ornata
Keywords: تعیین ساختار; Elysia ornata; Marine natural products; Depsipeptides; Bioactivity; Structure determination; AHWMGPDLMYVNQD-YINWEKRTSA-M;
Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]
Keywords: تعیین ساختار; Oxotellurate; Crystal growth; Structure determination; Thermal behaviour
Crystal structure redetermination of ε-Ni3Si2 from a single nanowire by dynamical refinement of precession electron diffraction data
Keywords: تعیین ساختار; Precession electron diffraction tomography; Structure determination; Nanowire; Dynamical refinement;
Synthesis, crystal structure analysis, spectral investigations, DFT computations, Biological activities and molecular docking of methyl(2E)-2-{[N-(2-formylphenyl)(4-methylbenzene) sulfonamido]methyl}-3-(4-fluorophenyl)prop-2-enoate, a potential bioactive
Keywords: تعیین ساختار; Sulfonamide; Structure determination; DFT; NBO; Antibacterial activity; Molecular docking
Geranylated tetraoxygenated xanthones from the pericarp of Garcinia pedunculata
Keywords: تعیین ساختار; Garcinia pedunculata; Guttiferae; Xanthones; Pedunxanthones D-F; Structure determination; Cytotoxicity;
Conformations of the semifluorinated n-alkane H–(CF2)8–H investigated using Fourier transform microwave spectroscopy and quantum chemical calculations
Keywords: تعیین ساختار; C8H2F16; Oligomer; Structure determination; Microwave spectra
New rhombohedral pyrochlores Ca2Ln3Sb3O14 (Ln=lanthanide and Y): Space group revised
Keywords: تعیین ساختار; Structure determination; Rhombohedral pyrochlore; X-ray diffraction;
Structural chemistry and magnetic properties of Y2CoGe4O12
Keywords: تعیین ساختار; Mixed-metal germanate; Neutron diffraction; EXAFS; Structure determination
Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
Keywords: تعیین ساختار; A1. Crystal growth; Ammonia storage; Gas-solid reactions; Structure determination;
Recent advances in solid state NMR characterization of zeolites
Keywords: تعیین ساختار; Solid state NMR; Zeolite; Structure determination; Acid site; Host-guest interaction
Doubly phenoxide-bridged binuclear copper(II) complexes with ono tridentate schiff base ligand: Synthesis, structural, magnetic and theoretical studies
Keywords: تعیین ساختار; Copper(II); ONO Tridentate Schiff base ligand; Magnetic properties; Structure determination; Ab initio calculation
AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal
Keywords: تعیین ساختار; Broadband Fourier transform microwave spectroscopy; Structure determination; Automated spectrum assignment;
Solid-state NMR and membrane proteins
Keywords: تعیین ساختار; Bilayers; Magic angle spinning; Dipolar coupling; Chemical shift anisotropy; Phospholipids; Structure determination;
Synthesis, crystal structures and luminescent properties of the copper(I) pyrazolonate complexes
Keywords: تعیین ساختار; Copper(I) pyrazolonate complex; Synthesis; Structure determination; Cyclic voltammetry; DFT calculations; Luminescence
A simulated annealing approach for solving zeolite crystal structures from two-dimensional NMR correlation spectra
Keywords: تعیین ساختار; NMR crystallography; Simulated annealing; Optimization; Crystal structure; Zeolites; Solid-state NMR; Structure determination; Algorithm;
Sub-solidus phase relations and a structure determination of new phases in the CaO–La2O3–TiO2 system
Keywords: تعیین ساختار; Phase relations; CaO–La2O3–TiO2 ternary system; Structure determination; X-ray powder diffraction; Wet precipitation synthesis